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CAY10650

CAT: 0957-E8206-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E8206-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1233706-88-1
Target
Phospholipase (e.g. PLA)
Applications
Metabolism
Molecular Formula
C28H25NO6
Additionnal Information
CAY10650 is a potent inhibitor of cytosolic phospholipase A2α (cPLA2α), with an IC50 of 12 nM. It exhibits anti-inflammatory effects in a murine contact dermatitis model.

Chemical Information

3-isobutyryl-1-(2-oxo-3-(4-phenoxyphenoxy)propyl)-1H-indole-5-carboxylic acid
CAS Number1233706-88-1
PubChem CID45102612
IUPAC Name3-(2-methylpropanoyl)-1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid
Molecular FormulaC28H25NO6
Molecular Weight471.5
XLogP5.3
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity740
SMILES
CC(C)C(=O)C1=CN(C2=C1C=C(C=C2)C(=O)O)CC(=O)COC3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C28H25NO6/c1-18(2)27(31)25-16-29(26-13-8-19(28(32)33)14-24(25)26)15-20(30)17-34-21-9-11-23(12-10-21)35-22-6-4-3-5-7-22/h3-14,16,18H,15,17H2,1-2H3,(H,32,33)
InChIKey
HTOJZPHWNDZOPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-isobutyryl-1-(2-oxo-3-(4-phenoxyphenoxy)propyl)-1H-indole-5-carboxylic acid
CAS: 1233706-88-1
CID: 45102612
Formula: C28H25NO6
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass471.16818752
Monoisotopic Mass471.16818752
Topological Polar Surface Area94.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3613091-01CAY10650
A14355-50CAY10650 50mg
A14355-10CAY10650 10mg
A14355-25CAY10650 25mg
A14355-100CAY10650 100mg
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A14355-1CAY10650 1mg
A14355-10mM-DCAY10650 10mM * 1mL in DMSO

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